1-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]amino]thiourea Formula: C17H15ClN4O2S2 MolecularWeight: 406.9096

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NN=CC1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=S)N/N=C/C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O2S2/c1-2-9-19-17(25)21-20-11-12-3-8-16(15(10-12)22(23)24)26-14-6-4-13(18)5-7-14/h2-8,10-11H,1,9H2,(H2,19,21,25)/b20-11+